N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-nitro-4-piperidino-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-17-8-4-5-9-21(17)29-15-14-23(2)22(26)18-10-11-19(20(16-18)25(27)28)24-12-6-3-7-13-24/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3